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Electronegativity dynamics in a chemical reaction
Author(s) -
Chattaraj P. K.,
Nath S.
Publication year - 1994
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560490513
Subject(s) - electronegativity , atom (system on chip) , chemistry , chemical reaction , radius , computational chemistry , chemical physics , covalent bond , field (mathematics) , reaction dynamics , charge density , atomic physics , physics , quantum mechanics , molecule , biochemistry , computer security , mathematics , organic chemistry , computer science , pure mathematics , embedded system
A generalized nonlinear Schrödinger equation has been solved in order to understand how electronegativity and the covalent radius of an atom vary during a chemical reaction. The chemical reaction is modeled as an atom in an external field and also as an atom colliding with an ion. Temporal evolution of charge density, current density, and effective potential has also been studied for a better understanding of the process. © 1994 John Wiley & Sons, Inc.